1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol

Systemtic Name: 1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol Openeye Name: 1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol CAS Name: 1,3-benzothiazole-2-thiolate; 2-(1-pyridin-1-iumyl)ethanol IUPAC Name: 1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol Traditional Name: 1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol Formula: C14H14N2OS2 MolecularWeight: 290.40376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCO.C1=CC=C2C(=C1)N=C(S2)[S-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCO.C1=CC=C2C(=C1)N=C(S2)[S-]

InChI

InChI=1S/C7H10NO.C7H5NS2/c9-7-6-8-4-2-1-3-5-8;9-7-8-5-3-1-2-4-6(5)10-7/h1-5,9H,6-7H2;1-4H,(H,8,9)/q+1;/p-1